2-azanyl-N-(1-oxidanylidene-3-phenyl-2H-isoquinolin-7-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-N-(1-oxidanylidene-3-phenyl-2H-isoquinolin-7-yl)ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-N-(1-keto-3-phenyl-2H-isoquinolin-7-yl)acetamide; 2,2,2-trifluoroacetic acid Formula: C19H16F3N3O4 MolecularWeight: 407.34325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NC(=O)CN)C(=O)N2.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NC(=O)CN)C(=O)N2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H15N3O2.C2HF3O2/c18-10-16(21)19-13-7-6-12-8-15(11-4-2-1-3-5-11)20-17(22)14(12)9-13;3-2(4,5)1(6)7/h1-9H,10,18H2,(H,19,21)(H,20,22);(H,6,7)